Information card for entry 4312714

Structure parameters

• Common name: [Tl(m-F)3Ru(PPh3)3]
• Formula: C55 H46 Cl3 F3 P3 Ru Tl
• Calculated formula: C55 H46 Cl3 F3 P3 Ru Tl
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Ru]12([F][Tl]([F]1)[F]2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: Bridging Fluorides and Hard/Soft Mismatch in d6 and d8 Complexes: The Case of [Tl(μ-F)3Ru(PPh3)3]
• Authors of publication: Claus Becker; Iris Kieltsch; Diego Broggini; Antonio Mezzetti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8417 - 8429
• a: 12.7484 ± 0.0018 Å
• b: 12.7484 ± 0.0018 Å
• c: 17.362 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2443.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No